AI50528
444188-88-9 | 3,7-Diazabicyclo[4.1.0]heptane-3-carboxylic acid, phenylmethyl ester
Manufacturer: A2B Chem
The price for this product is unavailable. Please request a quote
CatalogNumber
AI50528
ChemicalName
3,7-Diazabicyclo[4.1.0]heptane-3-carboxylic acid, phenylmethyl ester
CasNumber
444188-88-9
MolecularFormula
C13H16N2O2
MolecularWeight
232.2783
MdlNumber
MFCD27988114
Smiles
O=C(N1CCC2C(C1)N2)OCc1ccccc1
Complexity
289
Covalently-bondedUnitCount
1
HeavyAtomCount
17
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
3
UndefinedAtomStereocenterCount
2
Xlogp3
1.2
Compare Similar Items
Show Difference
CatalogNumber: AI50528
ChemicalName: 3,7-Diazabicyclo[4.1.0]heptane-3-carboxylic acid, phenylmethyl ester
CasNumber: 444188-88-9
MolecularFormula: C13H16N2O2
MolecularWeight: 232.2783
MdlNumber: MFCD27988114
Smiles: O=C(N1CCC2C(C1)N2)OCc1ccccc1
Complexity: 289
Covalently-bondedUnitCount: 1
HeavyAtomCount: 17
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 3
UndefinedAtomStereocenterCount: 2
Xlogp3: 1.2
CatalogNumber:
AI50528
ChemicalName:
3,7-Diazabicyclo[4.1.0]heptane-3-carboxylic acid, phenylmethyl ester
CasNumber:
444188-88-9
MolecularFormula:
C13H16N2O2
MolecularWeight:
232.2783
MdlNumber:
MFCD27988114
Smiles:
O=C(N1CCC2C(C1)N2)OCc1ccccc1
Complexity:
289
Covalently-bondedUnitCount:
1
HeavyAtomCount:
17
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
3
UndefinedAtomStereocenterCount:
2
Xlogp3:
1.2
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CCOC(=O)c1nc([nH]c1C(F)(F)F)Br
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CCOC(=O)c1nc([nH]c1C(F)(F)F)Br
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O=C(N1CCN(CC1)C(=O)c1ccccc1Br)OC(C)(C)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=C(N1CCN(CC1)C(=O)c1ccccc1Br)OC(C)(C)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: [O-][N+](=O)c1ccc2c(c1)COCC2
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
[O-][N+](=O)c1ccc2c(c1)COCC2
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__